1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate
Basic information
- CAS
22274-75-5- Standard SMILES
CCOC(=O)C(C(=O)OCC)C1CCCC(=O)C1- InChIKey
IKOAYBMYVQZXPV-UHFFFAOYSA-N- Molecular formula
- C13H20O5
- Average molar mass
- 256.29 g/mol
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate
- IUPAC
- diethyl 2-(3-oxocyclohexyl)propanedioate
Names & synonyms
1,3-diethyl 2-(3-oxocyclohexyl)propanedioate22274-75-5diethyl 2-(3-oxocyclohexyl)propanedioatediethyl 2-(3-oxocyclohexyl)malonate1,3-diethyl2-(3-oxocyclohexyl)propanedioateNSC246180diethyl 3-oxocyclohexylmalonatePropanedioic acid, (3-oxocyclohexyl)-, diethyl esterSCHEMBL3340261IKOAYBMYVQZXPV-UHFFFAOYSA-NNSC-246180SB74525
Show more names
(3-Oxo-cyclohexyl)-malonic acid diethyl ester2-(3-oxo-cyclohexyl)-malonic acid diethyl esterF181715
Database identifiers
- CAS
22274-75-5- PubChem CID
- 317049
- Nikkaji
- J1.089.813G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
15 records
Compound notes
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